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Retro-2 cycl

CAT: 0931-T12711-02Size: 1 mL - 10 mM (in DMSO)Dry Ice: NoHazardous: No
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CAT#:0931-T12711-02Size:1 mL - 10 mM (in DMSO)
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1429192-00-6
Target
Virus Protease, Anti-infection
Related Pathways
Microbiology/Virology
Purity
0.9989
Bioactivity
Retro-2 cycl is an antiviral agent and a selective inhibitor of retrograde protein trafficking mediated by syntaxin-5 at the interface. Retro-2 cycl inhibits JCPyV (IC50s: 54 μM) and HPV16 pseudovirus (IC50s: 160 μM) .
Smiles
Cc1ccc(s1)C1Nc2ccccc2C(=O)N1c1ccccc1
Molecular Formula
C19H16N2OS
Molecular Weight
320.41
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

2-(5-Methylthiophen-2-yl)-3-phenyl-2,3-dihydroquinazolin-4(1H)-one
CAS Number1429192-00-6
PubChem CID71716811
IUPAC Name2-(5-methylthiophen-2-yl)-3-phenyl-1,2-dihydroquinazolin-4-one
Molecular FormulaC19H16N2OS
Molecular Weight320.4
XLogP4.4
Topological Polar Surface Area60.6
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count2
Heavy Atom Count23
Formal Charge0
Complexity437
SMILES
CC1=CC=C(S1)C2NC3=CC=CC=C3C(=O)N2C4=CC=CC=C4
InChI
InChI=1S/C19H16N2OS/c1-13-11-12-17(23-13)18-20-16-10-6-5-9-15(16)19(22)21(18)14-7-3-2-4-8-14/h2-12,18,20H,1H3
InChIKey
BOAPXDSRULBILC-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2-(5-Methylthiophen-2-yl)-3-phenyl-2,3-dihydroquinazolin-4(1H)-one
CAS: 1429192-00-6
CID: 71716811
Formula: C19H16N2OS
MW: 320.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight320.4
XLogP34.4
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count2
Exact Mass320.09833431
Monoisotopic Mass320.09833431
Topological Polar Surface Area60.6 Ų
Heavy Atom Count23
Formal Charge0
Complexity437
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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Alternative Products

CatalogName
MBS3843505-01Retro-2 cycl
A19048-100Retro-2 cycl 100mg
A19048-25Retro-2 cycl 25mg
A19048-5Retro-2 cycl 5mg
A19048-200Retro-2 cycl 200mg
A19048-50Retro-2 cycl 50mg
A19048-10Retro-2 cycl 10mg
A19048-10mM-DRetro-2 cycl 10mM * 1mL in DMSO
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